ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate

C11H19NO4S — CID 25000515

IUPACethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C11H19NO4S/c1-2-16-11(13)9-5-7-12(8-6-9)17(14,15)10-3-4-10/h9-10H,2-8H2,1H3
InChIKeyHGIFXUZUWCKDDZ-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.75
Rot. Bonds4

About ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate

ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate (PubChem CID 25000515) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate
PubChem CID25000515
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Nameethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C11H19NO4S/c1-2-16-11(13)9-5-7-12(8-6-9)17(14,15)10-3-4-10/h9-10H,2-8H2,1H3
InChIKeyHGIFXUZUWCKDDZ-UHFFFAOYSA-N
XLogP0.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate (CID 25000515) is ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate?
The InChIKey is HGIFXUZUWCKDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-2-16-11(13)9-5-7-12(8-6-9)17(14,15)10-3-4-10/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate?
ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 25000515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).